N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide

C20H25BrN2O4S — CID 28546941

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)c2cccc(Br)c2)cc1
InChIInChI=1S/C20H25BrN2O4S/c1-4-23(28(25,26)19-11-9-18(10-12-19)27-5-2)14-20(24)22-15(3)16-7-6-8-17(21)13-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyMRSRGHDPFPFZEW-HNNXBMFYSA-N
MW469.40 g/mol
LogP3.74
Rot. Bonds9

About N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide

N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide (PubChem CID 28546941) has the molecular formula C20H25BrN2O4S and a molecular weight of 469.40 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
PubChem CID28546941
Molecular FormulaC20H25BrN2O4S
Molecular Weight469.40 g/mol
Exact Mass468.07
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)c2cccc(Br)c2)cc1
InChIInChI=1S/C20H25BrN2O4S/c1-4-23(28(25,26)19-11-9-18(10-12-19)27-5-2)14-20(24)22-15(3)16-7-6-8-17(21)13-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyMRSRGHDPFPFZEW-HNNXBMFYSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
CID 43872651
N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 43872386
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]acetamide
CID 92645757
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401395
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 30304187
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide
CID 94861120
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
CID 43872604
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide
CID 28544998
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547797
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
CID 43871639
N-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 43871726

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide (CID 28546941) is N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)c2cccc(Br)c2)cc1.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is MRSRGHDPFPFZEW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25BrN2O4S/c1-4-23(28(25,26)19-11-9-18(10-12-19)27-5-2)14-20(24)22-15(3)16-7-6-8-17(21)13-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide?
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 469.40 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 28546941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).